iterations/neb0_image08_iter1_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.150888210992E+04 0.15089E+04 -0.43564E+04 322 0.697E+02
DAV: 2 0.251377336275E+03 -0.12575E+04 -0.11819E+04 428 0.164E+02
DAV: 3 -0.354623351662E+03 -0.60600E+03 -0.60187E+03 348 0.117E+02
DAV: 4 -0.432279555400E+03 -0.77656E+02 -0.77316E+02 316 0.532E+01
DAV: 5 -0.434099728505E+03 -0.18202E+01 -0.18174E+01 332 0.820E+00 0.426E+01
DAV: 6 -0.388218773857E+03 0.45881E+02 -0.14877E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.384688287833E+03 0.35305E+01 -0.12311E+01 332 0.770E+00 0.104E+01
DAV: 8 -0.383274300322E+03 0.14140E+01 -0.22655E+00 332 0.381E+00 0.425E+00
DAV: 9 -0.382714824828E+03 0.55948E+00 -0.71650E-01 324 0.201E+00 0.103E+00
DAV: 10 -0.382658745723E+03 0.56079E-01 -0.11863E-01 348 0.869E-01 0.734E-01
DAV: 11 -0.382639735844E+03 0.19010E-01 -0.44327E-02 324 0.444E-01 0.600E-01
DAV: 12 -0.382627056405E+03 0.12679E-01 -0.10360E-01 308 0.433E-01 0.435E-01
DAV: 13 -0.382615246610E+03 0.11810E-01 -0.17957E-02 308 0.359E-01 0.322E-01
DAV: 14 -0.382619017794E+03 -0.37712E-02 -0.45802E-02 308 0.368E-01 0.545E-01
DAV: 15 -0.382620073922E+03 -0.10561E-02 -0.23080E-02 308 0.247E-01 0.143E-01
DAV: 16 -0.382629847162E+03 -0.97732E-02 -0.34541E-03 284 0.144E-01 0.131E-01
DAV: 17 -0.382643431482E+03 -0.13584E-01 -0.33972E-03 292 0.140E-01 0.100E-01
DAV: 18 -0.382652935540E+03 -0.95041E-02 -0.15129E-03 316 0.109E-01 0.574E-02
DAV: 19 -0.382660291442E+03 -0.73559E-02 -0.64417E-04 300 0.620E-02 0.385E-02
DAV: 20 -0.382668189575E+03 -0.78981E-02 -0.65378E-04 316 0.532E-02 0.396E-02
DAV: 21 -0.382670354220E+03 -0.21646E-02 -0.17289E-04 316 0.266E-02 0.311E-02
DAV: 22 -0.382671993302E+03 -0.16391E-02 -0.71740E-05 308 0.180E-02 0.168E-02
DAV: 23 -0.382673367397E+03 -0.13741E-02 -0.84341E-05 292 0.182E-02 0.153E-02
DAV: 24 -0.382673714771E+03 -0.34737E-03 -0.10034E-05 228 0.920E-03 0.630E-03
DAV: 25 -0.382674051803E+03 -0.33703E-03 -0.22147E-05 236 0.941E-03 0.366E-03
DAV: 26 -0.382674134946E+03 -0.83143E-04 -0.24936E-06 236 0.468E-03 0.292E-03
DAV: 27 -0.382674272891E+03 -0.13795E-03 -0.50529E-06 204 0.483E-03 0.305E-03
DAV: 28 -0.382674301559E+03 -0.28668E-04 -0.13343E-06 228 0.257E-03 0.160E-03
DAV: 29 -0.382674328096E+03 -0.26537E-04 -0.11034E-06 212 0.269E-03 0.108E-03
DAV: 30 -0.382674348478E+03 -0.20382E-04 -0.68242E-07 220 0.181E-03 0.807E-04
DAV: 31 -0.382674355207E+03 -0.67293E-05 -0.41290E-07 228 0.171E-03
1 F= -.38267436E+03 E0= -.38268728E+03 d E =0.387818E-01